Warning message saying "Warning: changed valency_cal to valency_boc for x"

Dear LAMMPS users,

When I run my equilibration case using the ReaxFF (fix reax/c), a warning message occurred saying “Warning: changed valency_cal to valency_boc for x”. I wonder what this warning message means and whether this warning message matters.



Hi Kira,
That is related to sanity checks during the reading of the force field file: valency_val should be equal to valency_boc for elements lighter than Ne.
In your case, this sanity check warns about element X, which is a dummy atom. This should not matter at all, unless you map one of your elements to X with “pair_coeff” command.


Dear Ray,

Thanks a lot! I did not map any element to X.